4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine

C16H16N4O — CID 850309

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C16H16N4O/c1-11-4-6-14(7-5-11)21-16-9-15(17-10-18-16)20-13(3)8-12(2)19-20/h4-10H,1-3H3
InChIKeyUVKPEKYSWLKEGO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.38
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine (PubChem CID 850309) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
PubChem CID850309
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C16H16N4O/c1-11-4-6-14(7-5-11)21-16-9-15(17-10-18-16)20-13(3)8-12(2)19-20/h4-10H,1-3H3
InChIKeyUVKPEKYSWLKEGO-UHFFFAOYSA-N
XLogP3.38
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine (CID 850309) is 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine is Cc1ccc(Oc2cc(-n3nc(C)cc3C)ncn2)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine?
The InChIKey is UVKPEKYSWLKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-4-6-14(7-5-11)21-16-9-15(17-10-18-16)20-13(3)8-12(2)19-20/h4-10H,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine has a molecular weight of 280.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine is sourced from PubChem (CID 850309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).